← Browse datasets![[CH3:18][N:17]([CH3:19])[C:14]1[N:15]=[CH:16][C:11]([C:9]2[O:10][C:6]3[CH:5]=[CH:4][C:3]([OH:2])=[CH:20][C:7]=3[N:8]=2)=[CH:12][CH:13]=1](/api/mol/svg?smiles=%5BCH3%3A18%5D%5BN%3A17%5D(%5BCH3%3A19%5D)%5BC%3A14%5D1%5BN%3A15%5D%3D%5BCH%3A16%5D%5BC%3A11%5D(%5BC%3A9%5D2%5BO%3A10%5D%5BC%3A6%5D3%5BCH%3A5%5D%3D%5BCH%3A4%5D%5BC%3A3%5D(%5BOH%3A2%5D)%3D%5BCH%3A20%5D%5BC%3A7%5D%3D3%5BN%3A8%5D%3D2)%3D%5BCH%3A12%5D%5BCH%3A13%5D%3D1&w=100&h=80)
![[CH3:1][O:2][C:3]1[CH:11]=[CH:10][C:6]2[N:7]=[C:8]([C:13]3[CH:14]=[N:15][C:16]([N:19]([CH3:21])[CH3:20])=[N:17][CH:18]=3)[O:9][C:5]=2[CH:4]=1](/api/mol/svg?smiles=%5BCH3%3A1%5D%5BO%3A2%5D%5BC%3A3%5D1%5BCH%3A11%5D%3D%5BCH%3A10%5D%5BC%3A6%5D2%5BN%3A7%5D%3D%5BC%3A8%5D(%5BC%3A13%5D3%5BCH%3A14%5D%3D%5BN%3A15%5D%5BC%3A16%5D(%5BN%3A19%5D(%5BCH3%3A21%5D)%5BCH3%3A20%5D)%3D%5BN%3A17%5D%5BCH%3A18%5D%3D3)%5BO%3A9%5D%5BC%3A5%5D%3D2%5BCH%3A4%5D%3D1&w=100&h=80)
![[CH3:17][N:16]([CH3:18])[C:13]1[N:14]=[CH:15][C:10]([C:8]2[O:9][C:5]3[CH:4]=[C:3]([OH:2])[CH:20]=[CH:19][C:6]=3[N:7]=2)=[CH:11][N:12]=1](/api/mol/svg?smiles=%5BCH3%3A17%5D%5BN%3A16%5D(%5BCH3%3A18%5D)%5BC%3A13%5D1%5BN%3A14%5D%3D%5BCH%3A15%5D%5BC%3A10%5D(%5BC%3A8%5D2%5BO%3A9%5D%5BC%3A5%5D3%5BCH%3A4%5D%3D%5BC%3A3%5D(%5BOH%3A2%5D)%5BCH%3A20%5D%3D%5BCH%3A19%5D%5BC%3A6%5D%3D3%5BN%3A7%5D%3D2)%3D%5BCH%3A11%5D%5BN%3A12%5D%3D1&w=100&h=80)
![[F:54][CH2:55][CH2:56][O:57][C:37]1[N:42]=[CH:41][C:40]([C:43]2[O:44][C:45]3[CH:51]=[C:50]([O:52][CH3:53])[CH:49]=[CH:48][C:46]=3[N:47]=2)=[CH:39][CH:38]=1](/api/mol/svg?smiles=%5BF%3A54%5D%5BCH2%3A55%5D%5BCH2%3A56%5D%5BO%3A57%5D%5BC%3A37%5D1%5BN%3A42%5D%3D%5BCH%3A41%5D%5BC%3A40%5D(%5BC%3A43%5D2%5BO%3A44%5D%5BC%3A45%5D3%5BCH%3A51%5D%3D%5BC%3A50%5D(%5BO%3A52%5D%5BCH3%3A53%5D)%5BCH%3A49%5D%3D%5BCH%3A48%5D%5BC%3A46%5D%3D3%5BN%3A47%5D%3D2)%3D%5BCH%3A39%5D%5BCH%3A38%5D%3D1&w=100&h=80)
![[Br:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]2[O:9][C:10]3[CH:16]=[C:15]([O:17][CH3:18])[CH:14]=[CH:13][C:11]=3[N:12]=2)=[N:22][CH:21]=1](/api/mol/svg?smiles=%5BBr%3A1%5D%5BC%3A2%5D1%5BCH%3A3%5D%3D%5BCH%3A4%5D%5BC%3A5%5D(%5BC%3A8%5D2%5BO%3A9%5D%5BC%3A10%5D3%5BCH%3A16%5D%3D%5BC%3A15%5D(%5BO%3A17%5D%5BCH3%3A18%5D)%5BCH%3A14%5D%3D%5BCH%3A13%5D%5BC%3A11%5D%3D3%5BN%3A12%5D%3D2)%3D%5BN%3A22%5D%5BCH%3A21%5D%3D1&w=100&h=80)
![[CH3:12][O:11][C:9]1[CH:8]=[CH:7][C:5]2[N:6]=[C:2]([C:17]3[CH:18]=[CH:19][C:14]([NH2:13])=[N:15][CH:16]=3)[O:3][C:4]=2[CH:10]=1](/api/mol/svg?smiles=%5BCH3%3A12%5D%5BO%3A11%5D%5BC%3A9%5D1%5BCH%3A8%5D%3D%5BCH%3A7%5D%5BC%3A5%5D2%5BN%3A6%5D%3D%5BC%3A2%5D(%5BC%3A17%5D3%5BCH%3A18%5D%3D%5BCH%3A19%5D%5BC%3A14%5D(%5BNH2%3A13%5D)%3D%5BN%3A15%5D%5BCH%3A16%5D%3D3)%5BO%3A3%5D%5BC%3A4%5D%3D2%5BCH%3A10%5D%3D1&w=100&h=80)
![[F:31][CH2:30][CH2:29][N:16]([C:13]1[CH:12]=[CH:11][C:10]([C:8]2[O:9][C:5]3[CH:4]=[C:3]([O:2][CH3:1])[CH:25]=[CH:24][C:6]=3[N:7]=2)=[CH:15][N:14]=1)[C:17](=[O:23])[O:18][C:19]([CH3:22])([CH3:20])[CH3:21]](/api/mol/svg?smiles=%5BF%3A31%5D%5BCH2%3A30%5D%5BCH2%3A29%5D%5BN%3A16%5D(%5BC%3A13%5D1%5BCH%3A12%5D%3D%5BCH%3A11%5D%5BC%3A10%5D(%5BC%3A8%5D2%5BO%3A9%5D%5BC%3A5%5D3%5BCH%3A4%5D%3D%5BC%3A3%5D(%5BO%3A2%5D%5BCH3%3A1%5D)%5BCH%3A25%5D%3D%5BCH%3A24%5D%5BC%3A6%5D%3D3%5BN%3A7%5D%3D2)%3D%5BCH%3A15%5D%5BN%3A14%5D%3D1)%5BC%3A17%5D(%3D%5BO%3A23%5D)%5BO%3A18%5D%5BC%3A19%5D(%5BCH3%3A22%5D)(%5BCH3%3A20%5D)%5BCH3%3A21%5D&w=100&h=80)
![[F:1][CH2:2][CH2:3][NH:4][C:12]1[CH:17]=[CH:16][C:15]([C:18]2[O:19][C:20]3[CH:26]=[C:25]([O:27][CH3:28])[CH:24]=[CH:23][C:21]=3[N:22]=2)=[CH:14][N:13]=1](/api/mol/svg?smiles=%5BF%3A1%5D%5BCH2%3A2%5D%5BCH2%3A3%5D%5BNH%3A4%5D%5BC%3A12%5D1%5BCH%3A17%5D%3D%5BCH%3A16%5D%5BC%3A15%5D(%5BC%3A18%5D2%5BO%3A19%5D%5BC%3A20%5D3%5BCH%3A26%5D%3D%5BC%3A25%5D(%5BO%3A27%5D%5BCH3%3A28%5D)%5BCH%3A24%5D%3D%5BCH%3A23%5D%5BC%3A21%5D%3D3%5BN%3A22%5D%3D2)%3D%5BCH%3A14%5D%5BN%3A13%5D%3D1&w=100&h=80)
![[CH3:1][O:2][C:3]1[CH:18]=[CH:17][C:6]2[N:7]=[C:8]([C:10]3[CH:15]=[N:14][C:13]([NH2:16])=[N:19][CH:11]=3)[O:9][C:5]=2[CH:4]=1](/api/mol/svg?smiles=%5BCH3%3A1%5D%5BO%3A2%5D%5BC%3A3%5D1%5BCH%3A18%5D%3D%5BCH%3A17%5D%5BC%3A6%5D2%5BN%3A7%5D%3D%5BC%3A8%5D(%5BC%3A10%5D3%5BCH%3A15%5D%3D%5BN%3A14%5D%5BC%3A13%5D(%5BNH2%3A16%5D)%3D%5BN%3A19%5D%5BCH%3A11%5D%3D3)%5BO%3A9%5D%5BC%3A5%5D%3D2%5BCH%3A4%5D%3D1&w=100&h=80)
![[CH3:1][O:2][C:3]1[CH:18]=[CH:17][C:6]2[N:7]=[C:8]([C:10]3[CH:15]=[N:14][C:13]([NH:16][C:35](=[O:41])[O:36][C:37]([CH3:40])([CH3:39])[CH3:38])=[N:12][CH:11]=3)[O:9][C:5]=2[CH:4]=1](/api/mol/svg?smiles=%5BCH3%3A1%5D%5BO%3A2%5D%5BC%3A3%5D1%5BCH%3A18%5D%3D%5BCH%3A17%5D%5BC%3A6%5D2%5BN%3A7%5D%3D%5BC%3A8%5D(%5BC%3A10%5D3%5BCH%3A15%5D%3D%5BN%3A14%5D%5BC%3A13%5D(%5BNH%3A16%5D%5BC%3A35%5D(%3D%5BO%3A41%5D)%5BO%3A36%5D%5BC%3A37%5D(%5BCH3%3A40%5D)(%5BCH3%3A39%5D)%5BCH3%3A38%5D)%3D%5BN%3A12%5D%5BCH%3A11%5D%3D3)%5BO%3A9%5D%5BC%3A5%5D%3D2%5BCH%3A4%5D%3D1&w=100&h=80)
![[F:26][CH2:27][CH2:28][N:16]([C:13]1[N:14]=[CH:15][C:10]([C:8]2[O:9][C:5]3[CH:4]=[C:3]([O:2][CH3:1])[CH:25]=[CH:24][C:6]=3[N:7]=2)=[CH:11][N:12]=1)[C:17](=[O:23])[O:18][C:19]([CH3:22])([CH3:20])[CH3:21]](/api/mol/svg?smiles=%5BF%3A26%5D%5BCH2%3A27%5D%5BCH2%3A28%5D%5BN%3A16%5D(%5BC%3A13%5D1%5BN%3A14%5D%3D%5BCH%3A15%5D%5BC%3A10%5D(%5BC%3A8%5D2%5BO%3A9%5D%5BC%3A5%5D3%5BCH%3A4%5D%3D%5BC%3A3%5D(%5BO%3A2%5D%5BCH3%3A1%5D)%5BCH%3A25%5D%3D%5BCH%3A24%5D%5BC%3A6%5D%3D3%5BN%3A7%5D%3D2)%3D%5BCH%3A11%5D%5BN%3A12%5D%3D1)%5BC%3A17%5D(%3D%5BO%3A23%5D)%5BO%3A18%5D%5BC%3A19%5D(%5BCH3%3A22%5D)(%5BCH3%3A20%5D)%5BCH3%3A21%5D&w=100&h=80)
![[F:1][CH2:2][CH2:3][NH:4][C:12]1[N:13]=[CH:14][C:15]([C:18]2[O:19][C:20]3[CH:26]=[C:25]([O:27][CH3:28])[CH:24]=[CH:23][C:21]=3[N:22]=2)=[CH:16][N:17]=1](/api/mol/svg?smiles=%5BF%3A1%5D%5BCH2%3A2%5D%5BCH2%3A3%5D%5BNH%3A4%5D%5BC%3A12%5D1%5BN%3A13%5D%3D%5BCH%3A14%5D%5BC%3A15%5D(%5BC%3A18%5D2%5BO%3A19%5D%5BC%3A20%5D3%5BCH%3A26%5D%3D%5BC%3A25%5D(%5BO%3A27%5D%5BCH3%3A28%5D)%5BCH%3A24%5D%3D%5BCH%3A23%5D%5BC%3A21%5D%3D3%5BN%3A22%5D%3D2)%3D%5BCH%3A16%5D%5BN%3A17%5D%3D1&w=100&h=80)
![[CH3:1][O:2][C:3]1[CH:19]=[CH:18][C:6]2[N:7]=[C:8]([C:10]3[CH:11]=[N:23][C:24]([NH:27][CH3:28])=[N:25][CH:17]=3)[O:9][C:5]=2[CH:4]=1](/api/mol/svg?smiles=%5BCH3%3A1%5D%5BO%3A2%5D%5BC%3A3%5D1%5BCH%3A19%5D%3D%5BCH%3A18%5D%5BC%3A6%5D2%5BN%3A7%5D%3D%5BC%3A8%5D(%5BC%3A10%5D3%5BCH%3A11%5D%3D%5BN%3A23%5D%5BC%3A24%5D(%5BNH%3A27%5D%5BCH3%3A28%5D)%3D%5BN%3A25%5D%5BCH%3A17%5D%3D3)%5BO%3A9%5D%5BC%3A5%5D%3D2%5BCH%3A4%5D%3D1&w=100&h=80)
![[CH3:18][O:19][C:20]1[N:21]=[CH:22][C:23]([CH:24]=[N:2][C:3]2[CH:9]=[CH:8][C:6]([OH:7])=[CH:5][C:4]=2[OH:10])=[CH:26][CH:27]=1](/api/mol/svg?smiles=%5BCH3%3A18%5D%5BO%3A19%5D%5BC%3A20%5D1%5BN%3A21%5D%3D%5BCH%3A22%5D%5BC%3A23%5D(%5BCH%3A24%5D%3D%5BN%3A2%5D%5BC%3A3%5D2%5BCH%3A9%5D%3D%5BCH%3A8%5D%5BC%3A6%5D(%5BOH%3A7%5D)%3D%5BCH%3A5%5D%5BC%3A4%5D%3D2%5BOH%3A10%5D)%3D%5BCH%3A26%5D%5BCH%3A27%5D%3D1&w=100&h=80)
![[CH3:1][O:2][C:3]1[N:8]=[CH:7][C:6]([C:9]2[O:18][C:12]3[CH:13]=[C:14]([OH:17])[CH:15]=[CH:16][C:11]=3[N:10]=2)=[CH:5][CH:4]=1](/api/mol/svg?smiles=%5BCH3%3A1%5D%5BO%3A2%5D%5BC%3A3%5D1%5BN%3A8%5D%3D%5BCH%3A7%5D%5BC%3A6%5D(%5BC%3A9%5D2%5BO%3A18%5D%5BC%3A12%5D3%5BCH%3A13%5D%3D%5BC%3A14%5D(%5BOH%3A17%5D)%5BCH%3A15%5D%3D%5BCH%3A16%5D%5BC%3A11%5D%3D3%5BN%3A10%5D%3D2)%3D%5BCH%3A5%5D%5BCH%3A4%5D%3D1&w=100&h=80)
![[CH3:19][N:20]([CH3:29])[C:21]1[N:22]=[CH:23][C:24]([C:27]2[O:28][C:32]3[CH:33]=[C:34]([C:35]([O:37][CH3:38])=[O:36])[CH:39]=[CH:40][C:31]=3[N:30]=2)=[CH:25][N:26]=1](/api/mol/svg?smiles=%5BCH3%3A19%5D%5BN%3A20%5D(%5BCH3%3A29%5D)%5BC%3A21%5D1%5BN%3A22%5D%3D%5BCH%3A23%5D%5BC%3A24%5D(%5BC%3A27%5D2%5BO%3A28%5D%5BC%3A32%5D3%5BCH%3A33%5D%3D%5BC%3A34%5D(%5BC%3A35%5D(%5BO%3A37%5D%5BCH3%3A38%5D)%3D%5BO%3A36%5D)%5BCH%3A39%5D%3D%5BCH%3A40%5D%5BC%3A31%5D%3D3%5BN%3A30%5D%3D2)%3D%5BCH%3A25%5D%5BN%3A26%5D%3D1&w=100&h=80)
![[F:1][CH2:2][CH2:3][NH:4][C:5]1[N:6]=[CH:7][C:8]([C:11]2[O:12][C:13]3[CH:19]=[C:18]([OH:20])[CH:17]=[CH:16][C:14]=3[N:15]=2)=[CH:9][CH:10]=1](/api/mol/svg?smiles=%5BF%3A1%5D%5BCH2%3A2%5D%5BCH2%3A3%5D%5BNH%3A4%5D%5BC%3A5%5D1%5BN%3A6%5D%3D%5BCH%3A7%5D%5BC%3A8%5D(%5BC%3A11%5D2%5BO%3A12%5D%5BC%3A13%5D3%5BCH%3A19%5D%3D%5BC%3A18%5D(%5BOH%3A20%5D)%5BCH%3A17%5D%3D%5BCH%3A16%5D%5BC%3A14%5D%3D3%5BN%3A15%5D%3D2)%3D%5BCH%3A9%5D%5BCH%3A10%5D%3D1&w=100&h=80)
![[NH2:16][C:13]1[N:14]=[CH:15][C:10]([C:8]2[O:9][C:5]3[CH:4]=[C:3]([OH:2])[CH:18]=[CH:17][C:6]=3[N:7]=2)=[CH:11][CH:12]=1](/api/mol/svg?smiles=%5BNH2%3A16%5D%5BC%3A13%5D1%5BN%3A14%5D%3D%5BCH%3A15%5D%5BC%3A10%5D(%5BC%3A8%5D2%5BO%3A9%5D%5BC%3A5%5D3%5BCH%3A4%5D%3D%5BC%3A3%5D(%5BOH%3A2%5D)%5BCH%3A18%5D%3D%5BCH%3A17%5D%5BC%3A6%5D%3D3%5BN%3A7%5D%3D2)%3D%5BCH%3A11%5D%5BCH%3A12%5D%3D1&w=100&h=80)
=[N:7][CH:6]=3)[O:9][C:10]=2[CH:16]=1)([C:18]([CH3:21])([CH3:20])[CH3:19])([CH3:24])[CH3:23]](/api/mol/svg?smiles=%5BSi%3A22%5D(%5BO%3A17%5D%5BC%3A15%5D1%5BCH%3A14%5D%3D%5BCH%3A13%5D%5BC%3A11%5D2%5BN%3A12%5D%3D%5BC%3A8%5D(%5BC%3A5%5D3%5BCH%3A4%5D%3D%5BCH%3A3%5D%5BC%3A2%5D(%5BNH2%3A1%5D)%3D%5BN%3A7%5D%5BCH%3A6%5D%3D3)%5BO%3A9%5D%5BC%3A10%5D%3D2%5BCH%3A16%5D%3D1)(%5BC%3A18%5D(%5BCH3%3A21%5D)(%5BCH3%3A20%5D)%5BCH3%3A19%5D)(%5BCH3%3A24%5D)%5BCH3%3A23%5D&w=100&h=80)
![[CH3:1][C@@H:2]1[CH2:6][CH2:5][CH2:4][C@H:3]1[O:7][C:16]1[CH:15]=[CH:14][C:11]([C:12]#[N:13])=[C:10]([C:9]([F:8])([F:20])[F:19])[CH:17]=1](/api/mol/svg?smiles=%5BCH3%3A1%5D%5BC%40%40H%3A2%5D1%5BCH2%3A6%5D%5BCH2%3A5%5D%5BCH2%3A4%5D%5BC%40H%3A3%5D1%5BO%3A7%5D%5BC%3A16%5D1%5BCH%3A15%5D%3D%5BCH%3A14%5D%5BC%3A11%5D(%5BC%3A12%5D%23%5BN%3A13%5D)%3D%5BC%3A10%5D(%5BC%3A9%5D(%5BF%3A8%5D)(%5BF%3A20%5D)%5BF%3A19%5D)%5BCH%3A17%5D%3D1&w=100&h=80)
Dataset #519
Reaction #2328990
Yield 23.7%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #2328991
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #2328992
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #2328993
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #2328994
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #2328995
Yield 32.1%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #2328996
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #2328997
Yield 41.8%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #2328998
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #2328999
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #2329000
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #2329001
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #2329002
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #2329003
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #2329004
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #2329005
Yield 72.3%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #2329006
Yield 21.1%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #2329007
Yield 116.9%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #2329008
Yield 345.6%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #2329009
Yield 83.2%DOI: 10.6084/m9.figshare.5104873.v1